ethyl 1-(naphthalen-1-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(naphthalen-1-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1-naphthylmethyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(1-naphthalenylmethyl)-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(naphthalen-1-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1-naphthylmethyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)C[C@H]4CCCCO4

InChI

InChI=1S/C25H33NO3/c1-2-28-24(27)25(18-22-11-5-6-17-29-22)13-15-26(16-14-25)19-21-10-7-9-20-8-3-4-12-23(20)21/h3-4,7-10,12,22H,2,5-6,11,13-19H2,1H3/p+1/t22-/m1/s1